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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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220513 85197638 1 SiO2C19H34 AB2C19D34 -143.93 3.57 -8.7 0.52 0
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220514 85197639 1 SiO2C19H34 AB2C19D34 -156.69 1.55 -8.79 0.33 0
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220515 85197640 1 ClO5H15C16 AB5C15D16 -153.89 9.37 -9.24 -1.62 0
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220516 85197641 1 ClN2O3C16H19 AB2C3D16E19 -125.93 2.51 -8.15 -0.27 0
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220517 85197642 1 ClSO2C17H19 ABC2D17E19 -67.1 3.89 -9.06 -0.42 0
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220518 85197643 1 N5O5C13H17 A5B5C13D17 -147.6 5.48 -9.33 -0.84 0
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220519 85197645 1 NO8C13H25 AB8C13D25 -389.6 4.14 -10.2 0.4 0
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220520 85197647 1 NO4H17C19 AB4C17D19 -17.95 6.38 -9.22 -1.4 0
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220521 85197651 1 NO5C17H25 AB5C17D25 -243.38 1.48 -10.04 0.22 0
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220522 85197653 1 NSO3C17H25 ABC3D17E25 -121.5 5.77 -9.62 -0.52 0
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220523 85197654 1 NO2S2C16H21 AB2C2D16E21 -54.63 4.57 -8.93 -0.15 0
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220524 85197656 2 Cl2C7H7 A2B7C7 -10.56 3.02 -9.64 -0.36 0
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220525 85197657 1 OH3C8F11 AB3C8D11 -585.5 6.17 -10.93 -1.47 0
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220527 85197659 1 PO8C12H21 AB8C12D21 -418.65 1.87 -9.97 0.23 0
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220528 85197660 1 N2O7C14H16 A2B7C14D16 -128.97 6.21 -9.98 -2.26 0
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220529 85197661 1 PO7C13H25 AB7C13D25 -391.81 4.82 -10.14 1.09 0
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220530 85197662 1 SO6C15H16 AB6C15D16 -221.31 4.57 -10.0 -0.96 0
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220531 85197663 1 O6C17H24 A6B17C24 -269.48 5.45 -9.25 -0.55 0
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220532 85197669 1 SO2C20H20 AB2C20D20 4.09 6.89 -9.3 -0.58 0
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220533 85197670 1 N2O3C18H32 A2B3C18D32 -154.67 1.55 -9.24 0.77 0
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220534 85197678 1 O2Si2C17H32 A2B2C17D32 -121.25 2.38 -8.75 -0.3 0
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220535 85197679 1 ClO2N4C15H21 AB2C4D15E21 -74.73 3.22 -9.18 -0.62 0
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220536 85197680 1 ClO2N4C15H21 AB2C4D15E21 -76.87 1.96 -9.11 -0.5 0
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220538 85197682 1 NF2O4C16H17 AB2C4D16E17 -234.27 6.32 -9.72 -0.87 0
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220539 85197684 1 FNO5C16H20 ABC5D16E20 -259.04 3.91 -10.01 -0.78 0
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220540 85197688 1 SN3O4C14H19 AB3C4D14E19 -138.24 5.12 -8.92 -0.13 0
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220541 85197695 1 NO4C18H31 AB4C18D31 -204.74 4.0 -9.15 0.37 0
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220542 85197718 1 F3O3C16H29 A3B3C16D29 -325.93 2.88 -9.68 0.51 0
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220543 85197730 1 INO4C9H14 ABC4D9E14 -176.26 6.08 -10.23 -1.38 0
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220544 85197732 1 BrO2C17H25 AB2C17D25 -118.07 4.51 -9.62 -0.22 0
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220545 85197733 1 FN5O5C12H14 AB5C5D12E14 -171.64 6.46 -10.02 -1.54 0
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220546 85197735 1 NPO5C15H22 ABC5D15E22 -259.35 1.43 -9.49 0.1 0
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220547 85197736 1 NPO5C15H22 ABC5D15E22 -255.44 7.23 -8.54 -0.05 0
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220548 85197740 1 N5H17C20 A5B17C20 114.92 5.64 -8.69 -0.66 0
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220549 85197741 1 NSO5C15H21 ABC5D15E21 -215.12 6.55 -9.67 -0.7 0
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220550 85197743 1 SO3N5C13H21 AB3C5D13E21 -0.55 10.63 -9.11 -1.7 0
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220551 85197747 1 NSO4C16H25 ABC4D16E25 -191.61 4.03 -9.94 -0.44 0
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220552 85197748 1 SN3O3C15H25 AB3C3D15E25 -140.3 7.94 -9.46 -0.66 0
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220553 85197749 1 SN3O3C15H25 AB3C3D15E25 -136.66 7.3 -9.74 -0.85 0
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220554 85197756 1 N2O7C14H20 A2B7C14D20 -257.75 8.44 -8.96 -1.1 0
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220555 85197762 1 O6C17H28 A6B17C28 -287.7 1.32 -9.27 1.01 0
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220556 85197767 2 NOC10H14 ABC10D14 -86.92 3.18 -9.03 0.38 0
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220557 85197768 1 SiO5C16H28 AB5C16D28 -277.8 6.19 -9.21 -0.54 0
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220558 85197788 1 NSO6C14H19 ABC6D14E19 -250.51 3.93 -10.25 -0.88 0
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220559 85197789 1 NO4C19H23 AB4C19D23 -159.43 5.03 -8.72 0.16 0
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220561 85197803 1 NSSiO3C15H27 ABCD3E15F27 -181.28 4.28 -9.2 0.05 0
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220562 85197820 1 N2O3C19H26 A2B3C19D26 -105.84 4.4 -9.65 -0.31 0
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220563 85197824 2 OSC9H9 ABC9D9 -35.33 2.11 -8.88 -0.59 0
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220564 85197829 1 SiO2C20H30 AB2C20D30 -130.74 3.11 -8.74 0.08 0
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220565 85197834 1 N3O5C16H17 A3B5C16D17 -39.9 6.92 -9.09 -1.49 0
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220566 85197841 1 NO4C19H25 AB4C19D25 -150.0 0.99 -9.29 -0.24 0
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220567 85197842 1 FO3C20H25 AB3C20D25 -166.06 2.07 -8.97 -0.62 0
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220568 85197845 1 NSiO2C19H29 ABC2D19E29 -80.47 7.09 -8.15 0.44 0
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220569 85197850 1 BrN3O3C12H18 AB3C3D12E18 -130.1 7.13 -8.72 -0.8 1
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220570 85197851 1 N4O4C16H19 A4B4C16D19 -94.1 7.42 0.0 0.0 0
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220571 85197854 1 O2N4C19H22 A2B4C19D22 1.76 2.53 -8.73 0.32 0
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220572 85197855 1 PO5C16H29 AB5C16D29 -307.07 2.62 -9.05 0.96 0
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220573 85197856 1 O7C16H28 A7B16C28 -348.63 3.08 -10.05 0.82 0
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220574 85197859 1 O5C19H24 A5B19C24 -158.02 1.92 -9.26 0.41 0
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220575 85197860 1 O5C19H24 A5B19C24 -176.6 3.34 -9.41 0.04 0
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220576 85197861 1 O3C22H26 A3B22C26 -98.75 2.62 -8.88 -0.19 0
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220577 85197867 1 N2O2H20C21 A2B2C20D21 -27.97 3.35 -9.01 -0.94 0
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220578 85197868 1 PO2C20H29 AB2C20D29 -119.47 2.83 -9.36 -0.09 0
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220579 85197870 4 OC5H7 AB5C7 -163.07 2.95 -9.47 -0.71 0
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220580 85197872 4 OC5H7 AB5C7 -178.26 7.35 -9.94 -0.24 0
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220581 85197876 1 S2O3H16C17 A2B3C16D17 12.12 4.83 -8.63 -0.12 0
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220582 85197890 1 NO5C18H23 AB5C18D23 -212.95 1.56 -8.74 -0.49 0
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220583 85197898 1 BBr2C12H19 AB2C12D19 -22.87 2.95 -7.75 -1.28 0
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220584 85197902 1 O3N4H14C18 A3B4C14D18 0.14 8.02 -9.36 -1.97 0
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220585 85197905 1 N2O2C21H28 A2B2C21D28 -76.44 3.56 -9.18 0.28 0
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220586 85197906 1 SN2O3C17H22 AB2C3D17E22 -125.59 4.01 -8.67 -0.58 0
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220587 85197908 1 O3C21H34 A3B21C34 -183.2 0.22 -8.64 1.55 0
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220588 85197918 1 FN3O5C15H16 AB3C5D15E16 -242.92 2.53 -10.37 -1.07 0
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220590 85197920 1 NSO6H13C15 ABC6D13E15 -95.65 11.68 -8.9 -1.35 1
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220591 85197921 1 N3O3H16C19 A3B3C16D19 -5.35 6.13 0.0 0.0 0